CAS RN: 2565792-21-2
.
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS2565792-21-2
- Purity/Analytical Methods: >99.0%
2565792-21-2 / (2R,3R)-4-anthracen-9-yl-3-tert-butyl-2-ethyl-2H-1,3-benzoxaphosphole
Basic Information
CAS
2565792-21-2
Multi CAS
No
Molecular Formula
C27H27OP
Molecular Weight
398.500000
Exact Mass
398.179952
SMILES
CC[C@@H]1OC2=CC=CC(=C2[P@]1C(C)(C)C)C3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C27H27OP/c1-5-24-28-23-16-10-15-22(26(23)29(24)27(2,3)4)25-20-13-8-6-11-18(20)17-19-12-7-9-14-21(19)25/h6-17,24H,5H2,1-4H3/t24-,29+/m1/s1
InChIKey
QPWCJINMYWPGIX-GIGWZHCTSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
127.9
TPSA
9.23
LogP / Solubility
WLOGP
7.69
MLOGP
6.79
XLogP3
7.4
Consensus LogP
7.29
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 2565792-22-3 [S(R)]-N-[(R)-[2-(Dicyclohexylphosphino)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[S(R)]-N-[(R)-[2-(Dicyclohexylphosphino)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 2565792-22-3
- Product Code: SSC-121888
-
[S(R)]-N-[(1S)-1-[2-(Di-tert-butylphosphanyl)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 2565792-23-4
- Product Code: SSC-121889
-
[S(R)]-N-[(S)-[3,5-Di-tert-butyl-4-methoxyphenyl][(3-benzyloxy-2-(dicyclohexylphosphino)phenyl)methyl]-N,2-dimethyl-2-propanesulfinamide
- CAS RN: 2565792-24-5
- Product Code: SSC-121890
-
-
[S(R)]-N-[(S)-[6-(Diphenylphosphino)benzo[d][1,3]dioxol-5-yl]-1-naphthalenylmethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 2565792-26-7
- Product Code: SSC-121892
-
[S(R)]-N-[(1S)-2-(Diphenylphosphino)-1-[2-(diphenylphosphino)-4,5-dimethoxyphenyl]ethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 2565792-27-8
- Product Code: SSC-121893
![CAS 2565792-22-3 [S(R)]-N-[(R)-[2-(Dicyclohexylphosphino)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB56197095.gif)
![CAS 2565792-23-4 [S(R)]-N-[(1S)-1-[2-(Di-tert-butylphosphanyl)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB16197077.gif)
![CAS 2565792-24-5 [S(R)]-N-[(S)-[3,5-Di-tert-butyl-4-methoxyphenyl][(3-benzyloxy-2-(dicyclohexylphosphino)phenyl)methyl]-N,2-dimethyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB36197147.gif)
![CAS 2565792-26-7 [S(R)]-N-[(S)-[6-(Diphenylphosphino)benzo[d][1,3]dioxol-5-yl]-1-naphthalenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB06197151.gif)
![CAS 2565792-27-8 [S(R)]-N-[(1S)-2-(Diphenylphosphino)-1-[2-(diphenylphosphino)-4,5-dimethoxyphenyl]ethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB76197084.gif)